TL;DR: 2,4-Bis(3'((2''-(dimethylamino)ethyl)thio)phenyl)pyrimidine (CAS 129225-01-0) is a chemical compound with molecular formula C24H30N4S2 and molecular weight 438.1912 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[2-[3-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine
Also Known As: 2,4-Bis(3'((2''-(dimethylamino)ethyl)thio)phenyl)pyrimidine, 2,4-Bis[3-(2-dimethylaminoethylthio)phenyl]pyrimidine, 2,2 -[Pyrimidine-2,4-diylbis(3,1-phenylenethio)]bis(N,N-dimethylethanamine), 2,2'-[Pyrimidine-2,4-diylbis(3,1-phenylenesulfanediyl)]bis(N,N-dimethylethan-1-amine), Ethanamine, 2,2'-[2,4-pyrimidinediylbis(3,1-phenylenethio)]bis[N,N-dimethyl-
| Molecular Formula | C24H30N4S2 |
| Molecular Weight | 438.1912 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 82.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 438.1912 Da |
| Heavy Atoms | 30 |
| Complexity | 476.0 |
| SMILES | CN(C)CCSC1=CC=CC(=C1)C2=NC(=NC=C2)C3=CC(=CC=C3)SCCN(C)C |
| InChIKey | SPBXJBKYCFMHEP-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 2,4-Bis(3'((2''-(dimethylamino)ethyl)thio)phenyl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Bis(3'((2''-(dimethylamino)ethyl)thio)phenyl)pyrimidine. Following Lipinski's Rule of Five, 2,4-Bis(3'((2''-(dimethylamino)ethyl)thio)phenyl)pyrimidine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,4-Bis(3'((2''-(dimethylamino)ethyl)thio)phenyl)pyrimidine is 129225-01-0.
The molecular formula of 2,4-Bis(3'((2''-(dimethylamino)ethyl)thio)phenyl)pyrimidine is C24H30N4S2.
The molecular weight of 2,4-Bis(3'((2''-(dimethylamino)ethyl)thio)phenyl)pyrimidine is 438.1912 g/mol.
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